N-(4-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazolin-4-amine

C17H15ClFN3O2 — CID 5329015

IUPACN-(4-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazolin-4-amine
SMILESCOCCOc1ccc2c(Nc3ccc(Cl)cc3F)ncnc2c1
InChIInChI=1S/C17H15ClFN3O2/c1-23-6-7-24-12-3-4-13-16(9-12)20-10-21-17(13)22-15-5-2-11(18)8-14(15)19/h2-5,8-10H,6-7H2,1H3,(H,20,21,22)
InChIKeyPMDSTJDYKPKKER-UHFFFAOYSA-N
MW347.78 g/mol
LogP4.19
Rot. Bonds6

About N-(4-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazolin-4-amine

N-(4-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazolin-4-amine (PubChem CID 5329015) has the molecular formula C17H15ClFN3O2 and a molecular weight of 347.78 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazolin-4-amine
PubChem CID5329015
Molecular FormulaC17H15ClFN3O2
Molecular Weight347.78 g/mol
Exact Mass347.08
IUPAC NameN-(4-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazolin-4-amine
SMILESCOCCOc1ccc2c(Nc3ccc(Cl)cc3F)ncnc2c1
InChIInChI=1S/C17H15ClFN3O2/c1-23-6-7-24-12-3-4-13-16(9-12)20-10-21-17(13)22-15-5-2-11(18)8-14(15)19/h2-5,8-10H,6-7H2,1H3,(H,20,21,22)
InChIKeyPMDSTJDYKPKKER-UHFFFAOYSA-N
XLogP4.19
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazolin-4-amine?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazolin-4-amine (CID 5329015) is N-(4-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazolin-4-amine.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazolin-4-amine?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazolin-4-amine is COCCOc1ccc2c(Nc3ccc(Cl)cc3F)ncnc2c1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazolin-4-amine?
The InChIKey is PMDSTJDYKPKKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O2/c1-23-6-7-24-12-3-4-13-16(9-12)20-10-21-17(13)22-15-5-2-11(18)8-14(15)19/h2-5,8-10H,6-7H2,1H3,(H,20,21,22).
What are the key properties of N-(4-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazolin-4-amine?
N-(4-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazolin-4-amine has a molecular weight of 347.78 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazolin-4-amine is sourced from PubChem (CID 5329015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).